| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:22 UTC |
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| Update Date | 2025-03-21 18:33:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096509 |
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| Frequency | 28.6 |
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| Structure | |
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| Chemical Formula | C9H15N3O7S |
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| Molecular Mass | 309.0631 |
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| SMILES | NC(CCONC(=S)NC(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | HWGRXGOCCZMHGL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureastricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupthioureacarboxylic acidtricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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